N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide

C24H27Cl2N5O3 — CID 118017131

About N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide

N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide (PubChem CID 118017131) has the molecular formula C24H27Cl2N5O3 and a molecular weight of 504.42 g/mol. Its IUPAC name is N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide.

Molecular Properties

• Compound Name: N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide
• PubChem CID: 118017131
• Molecular Formula: C24H27Cl2N5O3
• Molecular Weight: 504.42 g/mol
• Exact Mass: 503.15
• IUPAC Name: N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide
• SMILES: CC(C)CC1(C)N=C(N)N(Cc2cccc(NC(=O)CC(=O)Nc3cc(Cl)cc(Cl)c3)c2)C1=O
• InChI: InChI=1S/C24H27Cl2N5O3/c1-14(2)12-24(3)22(34)31(23(27)30-24)13-15-5-4-6-18(7-15)28-20(32)11-21(33)29-19-9-16(25)8-17(26)10-19/h4-10,14H,11-13H2,1-3H3,(H2,27,30)(H,28,32)(H,29,33)
• InChIKey: KIHYZLBYOFMFCR-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 116.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.42
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide?

The IUPAC name of N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide (CID 118017131) is N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide.

What is the SMILES notation for N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide?

The canonical SMILES for N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide is CC(C)CC1(C)N=C(N)N(Cc2cccc(NC(=O)CC(=O)Nc3cc(Cl)cc(Cl)c3)c2)C1=O.

What is the InChIKey of N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide?

The InChIKey is KIHYZLBYOFMFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O3/c1-14(2)12-24(3)22(34)31(23(27)30-24)13-15-5-4-6-18(7-15)28-20(32)11-21(33)29-19-9-16(25)8-17(26)10-19/h4-10,14H,11-13H2,1-3H3,(H2,27,30)(H,28,32)(H,29,33).

What are the key properties of N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide?

N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide has a molecular weight of 504.42 g/mol, XLogP of 4.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide is sourced from PubChem (CID 118017131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).